SCHEMBL2545258

SCHEMBL2545258

COc1ccc([C@H](O)COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPT P10636 5/20 0.51
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EGFR P00533 1/20 0.44
AOC3 Q16853 2/20 0.43
HPGD P15428 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2538585 1.00 ALDH1A1 (0.51) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL6980265 0.91 PKM (0.44) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL2539995 0.91 PKM (0.44) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL2539962 0.85 LMNA (0.51) ALDH1A1MAPTNPC1LMNARAB9A
SCHEMBL3181029 0.84 ALDH1A1 (0.42) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL2539955 0.84 ALDH1A1 (0.42) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL3181035 0.84 ALDH1A1 (0.42) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL2545371 0.84 UTS2R (0.42) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL2534458 0.84 UTS2R (0.42) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL2537512 0.84 CHRM2 (0.52) ALDH1A1MAPTAOC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044245-B2 Method for the preparation of optically active 2-sulfonyloxy-1-phenylethanol derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-10-25 US disclosed
US-20100063317-A1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 2-SULFONYLOXY-1-PHENYLETHANOL DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100063317-A1 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE 2-SULFONYLOXY-1-PHENYLETHANOL DERIVATIVES FOXO1, ENO1, SULT1A1 ALDH1A1 24/4885MAPT 4643/4885NPC1 1514/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.